N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

C12H12N2O3S — CID 54742128

IUPACN-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C12H12N2O3S/c15-10-7-4-18-5-8(7)14-12(17)9(10)11(16)13-3-6-1-2-6/h4-6,15H,1-3H2,(H,13,16)(H,14,17)
InChIKeyIXOXBJSQHZAVQJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.43
Rot. Bonds3

About N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (PubChem CID 54742128) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
PubChem CID54742128
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C12H12N2O3S/c15-10-7-4-18-5-8(7)14-12(17)9(10)11(16)13-3-6-1-2-6/h4-6,15H,1-3H2,(H,13,16)(H,14,17)
InChIKeyIXOXBJSQHZAVQJ-UHFFFAOYSA-N
XLogP1.43
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (CID 54742128) is N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is O=C(NCC1CC1)c1c(O)c2cscc2[nH]c1=O.
What is the InChIKey of N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The InChIKey is IXOXBJSQHZAVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10-7-4-18-5-8(7)14-12(17)9(10)11(16)13-3-6-1-2-6/h4-6,15H,1-3H2,(H,13,16)(H,14,17).
What are the key properties of N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 54742128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).